UCSF

ZINC02409896

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 33 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.93 -5.49 -11.1 1 5 0 62 452.583 6
Lo Low (pH 4.5-6) 1.09 -5.38 -27.07 2 5 1 64 453.591 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )